β-(4-氯苯氧基)-α-(1,1-二甲基乙基)1 H-咪唑-1-乙醇1为咪唑衍生物,现代抗真菌剂。有赤式和苏式两种异构体。苏式异构体1_a显示强抗真菌活性,其抗原虫(滴虫)疗效比标准首选药甲硝唑、克霉唑更为有效,同时亲水性强,口服吸收好。而赤式异构体1_b仅有微弱的抗真菌活性.我们按设计的立体专一合成路线制得前者1_a,但未见其晶体结构研究报道。本文报道标题化合物1_a的合成、单晶制备、晶体结构分析及其构效关系初析。 β- (4-chlorophenoxy) -α- (1,1-dimethylethyl) 1H-imidazole-1-ethanol 1 is an imidazole derivative, a modern antifungal agent. There are two red and two isomers. The threo isomer 1-a shows strong anti-fungal activity. Its anti-protozoan (trichomoniasis) efficacy is more effective than the standard preferred metronidazole and clotrimazole, and at the same time is highly hydrophilic and well absorbed orally. The red isomer 1_b only weak antifungal activity.We designed the stereospecific synthetic route to the former 1_a, but no study of its crystal structure reported. This paper reports the synthesis of the title compound 1_a, single crystal preparation, crystal structure analysis and structure-activity relationship analysis.